4-[2-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-6-(4-oxidanylpiperidin-1-yl)pyrimidin-4-yl]benzoic acid

Systemtic Name: 4-[2-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-6-(4-oxidanylpiperidin-1-yl)pyrimidin-4-yl]benzoic acid Openeye Name: 4-[2-[(5-ethoxycarbonyl-4-methyl-thiazol-2-yl)amino]-6-(4-hydroxy-1-piperidyl)pyrimidin-4-yl]benzoic acid CAS Name: 4-[2-[(5-ethoxycarbonyl-4-methyl-2-thiazolyl)amino]-6-(4-hydroxy-1-piperidinyl)-4-pyrimidinyl]benzoic acid IUPAC Name: 4-[2-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-6-(4-hydroxypiperidin-1-yl)pyrimidin-4-yl]benzoic acid Traditional Name: 4-[2-[(5-carbethoxy-4-methyl-thiazol-2-yl)amino]-6-(4-hydroxypiperidino)pyrimidin-4-yl]benzoic acid Formula: C23H25N5O5S MolecularWeight: 483.5401

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)NC2=NC(=CC(=N2)N3CCC(CC3)O)C4=CC=C(C=C4)C(=O)O)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)NC2=NC(=CC(=N2)N3CCC(CC3)O)C4=CC=C(C=C4)C(=O)O)C

InChI

InChI=1S/C23H25N5O5S/c1-3-33-21(32)19-13(2)24-23(34-19)27-22-25-17(14-4-6-15(7-5-14)20(30)31)12-18(26-22)28-10-8-16(29)9-11-28/h4-7,12,16,29H,3,8-11H2,1-2H3,(H,30,31)(H,24,25,26,27)